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Products Information

Z-D-GLU-OBZL
Z-D-GLU-OBZL ID: AD_E-2020
CAS:CAS
Supplier:Acesys Pharmatech

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SMILES:C(=O)(N[C@@H](C(=O)OCc1ccccc1)CCC(=O)O)OCc1ccccc1	
FORMULA: C20H21NO6
MASS: 371.3838
EXACT MASS: 371.1368874
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.4018     0.0000 
   N   3    0.9133     1.5674     0.0000 
   C   4    1.5543     0.9211     0.8869     0.0000 
   C   5    2.3943     3.1456     2.7214     2.3992     0.0000 
   O   6    2.7272     0.9059     1.8139     1.5785     3.9571     0.0000 
   O   7    0.8986     2.7268     1.5737     1.8058     1.5762     3.2760 
   O   8    3.1329     0.8983     2.3862     1.5787     3.2675     1.5633 
   O   9    0.9098     3.1441     1.5767     2.3836     3.1398     3.2760 
   O  10    2.7155     3.9527     3.2699     3.1347     0.9008     4.7130 
   C  11    1.8136     1.5675     1.5679     0.9075     1.5781     2.3966 
   C  12    1.5551     2.4057     1.8084     1.5675     0.9131     3.1460 
   C  13    3.6318     1.5666     2.7185     2.4067     4.7122     0.9047 
   O  14    3.1442     3.2761     3.2753     2.7301     0.9156     4.1620 
   C  15    1.5713     3.9548     2.4042     3.1256     3.2690     4.1604 
   C  16    4.1711     2.4058     3.2783     3.1566     5.5275     1.5781 
   C  17    2.4155     4.7285     3.1610     3.9514     4.1667     4.8175 
   C  18    5.0712     3.1561     4.1711     3.9774     6.3017     2.4142 
   C  19    3.9601     2.7248     3.1430     3.2751     5.6698     1.8190 
   C  20    2.7365     4.8102     3.2856     4.1510     4.8120     4.7250 
   C  21    3.1628     5.5395     3.9796     4.7171     4.5462     5.6905 
   C  22    4.7347     3.6456     3.9701     4.1751     6.5606     2.7398 
   C  23    5.6882     3.9694     4.8167     4.7369     7.1038     3.1584 
   C  24    3.6565     5.6896     4.1861     5.0587     5.6873     5.5445 
   C  25    3.9837     6.3146     4.7471     5.5299     5.4653     6.3826 
   C  26    5.5444     4.1758     4.7338     4.8236     7.2227     3.2904 
   C  27    4.1889     6.3807     4.8349     5.6783     5.9733     6.3184 

              O   7      O   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.2679     0.0000 
   O   9    1.5636     3.9455     0.0000 
   O  10    1.8170     4.1478     3.2692     0.0000 
   C  11    1.5824     1.8016     2.7234     2.4025     0.0000 
   C  12    0.9006     2.7226     2.3863     1.5672     0.9211     0.0000 
   C  13    4.1593     1.8064     4.1610     5.5126     3.1341     3.9551 
   O  14    2.4135     3.1417     3.9595     1.5713     1.8228     1.5891 
   C  15    1.8069     4.7042     0.9048     3.1442     3.2740     2.7075 
   C  16    4.8121     2.7235     4.5492     6.2911     3.9571     4.7240 
   C  17    2.7269     5.5228     1.5843     3.9656     4.1739     3.6275 
   C  18    5.6842     3.2835     5.4624     7.0980     4.7236     5.5365 
   C  19    4.7166     3.2722     4.1599     6.3511     4.1569     4.8024 
   C  20    3.2769     5.6658     1.8267     4.7287     4.5501     4.1567 
   C  21    3.2802     6.2957     2.4201     4.1689     4.8219     4.1590 
   C  22    5.5350     4.1714     4.8173     7.2161     5.0650     5.6813 
   C  23    6.3705     4.1712     5.9705     7.8714     5.5300     6.3043 
   C  24    4.1744     6.5566     2.7467     5.5423     5.4701     5.0619 
   C  25    4.1768     7.1046     3.1704     5.0756     5.6966     5.0635 
   C  26    6.3075     4.5520     5.6895     7.9278     5.6815     6.3711 
   C  27    4.5567     7.2211     3.3005     5.6920     5.9809     5.4573 

              C  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   O  14    4.7992     0.0000 
   C  15    5.0525     4.1636     0.0000 
   C  16    0.9171     5.6755     5.4540     0.0000 
   C  17    5.6814     5.0690     0.9200     5.9727     0.0000 
   C  18    1.5895     6.3670     6.3672     0.9133     6.8787     0.0000 
   C  19    1.5845     5.9573     5.0508     0.9200     5.4540     1.5897 
   C  20    5.5286     5.6850     1.5845     5.6814     0.9171     6.5627 
   C  21    6.5660     5.4618     1.5915     6.8826     0.9176     7.7903 
   C  22    2.4243     6.8718     5.6789     1.5887     5.9712     1.8312 
   C  23    2.4204     7.2196     6.8682     1.5803     7.2885     0.9096 
   C  24    6.3113     6.5723     2.4235     6.3814     1.5845     7.2360 
   C  25    7.2321     6.3809     2.4285     7.4648     1.5861     8.3590 
   C  26    2.7456     7.4497     6.5630     1.8285     6.8806     1.5803 
   C  27    7.1185     6.8822     2.7499     7.2400     1.8298     8.1075 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.0525     0.0000 
   C  21    6.3716     1.5953     0.0000 
   C  22    0.9208     5.4541     6.8825     0.0000 
   C  23    1.8345     6.8707     8.2061     1.5863     0.0000 
   C  24    5.6814     0.9200     1.8358     5.9723     7.4614     0.0000 
   C  25    6.8746     1.8389     0.9191     7.2930     8.6998     1.5860 
   C  26    1.5909     6.3713     7.7935     0.9172     0.9133     6.8832 
   C  27    6.5668     1.5934     1.5887     6.8826     8.3597     0.9175 

              C  25      C  26      C  27
              ---------------------------------
   C  25    0.0000 
   C  26    8.2101     0.0000 
   C  27    0.9132     7.7950     0.0000 



ATOMIC CHARGES
   C   1    0.4219026794
   C   2    0.3374398873
   N   3   -0.1590336714
   C   4    0.1973847111
   C   5    0.3649321064
   O   6   -0.4423269770
   O   7   -0.2245390833
   O   8   -0.2481826316
   O   9   -0.4285316589
   O  10   -0.2456528507
   C  11    0.0450448107
   C  12    0.1164054661
   C  13    0.2350806715
   O  14   -0.2456528507
   C  15    0.2367618327
   C  16    0.0212628008
   C  17    0.0213208475
   C  18   -0.0006883495
   C  19   -0.0006883495
   C  20   -0.0006876074
   C  21   -0.0006876074
   C  22   -0.0002074786
   C  23   -0.0002074786
   C  24   -0.0002074756
   C  25   -0.0002074756
   C  26   -0.0000171340
   C  27   -0.0000171340


BOND ANGLES
   3    1    7  Nam   C2   O2    120.581
   3    1    9  Nam   C2   O3    119.735
   7    1    9   O2   C2   O3    119.684
   4    2    6   C3   C2   O3    119.535
   4    2    8   C3   C2   O2    120.366
   6    2    8   O3   C2   O2    120.100
   1    3    4   C2  Nam   C3    119.396
   2    4    3   C2   C3  Nam    120.194
   2    4   11   C2   C3   C3    118.005
   3    4   11  Nam   C3   C3    121.801
  10    5   12 O.co2  Cac   C3    119.537
  12    5   14   C3  Cac O.co2    120.677
  10    5   14 O.co2  Cac O.co2    119.785
   2    6   13   C2   O3   C3    119.829
   1    9   15   C2   O3   C3    119.979
   4   11   12   C3   C3   C3    118.005
   5   12   11  Cac   C3   C3    118.707
   6   13   16   O3   C3  Car    120.044
   9   15   17   O3   C3  Car    120.500
  13   16   18   C3  Car  Car    120.547
  13   16   19   C3  Car  Car    119.197
  18   16   19  Car  Car  Car    120.255
  15   17   20   C3  Car  Car    119.197
  15   17   21   C3  Car  Car    120.004
  20   17   21  Car  Car  Car    120.799
  16   18   23  Car  Car  Car    120.209
  16   19   22  Car  Car  Car    119.321
  17   20   24  Car  Car  Car    119.197
  17   21   25  Car  Car  Car    119.427
  19   22   26  Car  Car  Car    119.895
  18   23   26  Car  Car  Car    120.196
  20   24   27  Car  Car  Car    120.266
  21   25   27  Car  Car  Car    120.233
  22   26   23  Car  Car  Car    120.124
  24   27   25  Car  Car  Car    120.078


TORSION ANGLES
   6    2    4    3      0.026
   6    2    4   11    179.974
   8    2    4    3    179.974
   8    2    4   11      0.026
   4    3    1    7      0.026
   4    3    1    9    179.974
   2    4    3    1    179.974
  11    4    3    1      0.026
  10    5   12   11    179.974
  14    5   12   11      0.026
  13    6    2    4    179.974
  13    6    2    8      0.026
  15    9    1    3    179.974
  15    9    1    7      0.026
  12   11    4    2    179.974
  12   11    4    3      0.026
   5   12   11    4    179.974
  16   13    6    2    179.974
  17   15    9    1    179.974
  18   16   13    6    179.974
  19   16   13    6      0.026
  20   17   15    9      0.026
  21   17   15    9    179.974
  23   18   16   13    179.974
  23   18   16   19      0.026
  22   19   16   13    179.974
  22   19   16   18      0.026
  24   20   17   15    179.974
  24   20   17   21      0.026
  25   21   17   15    179.974
  25   21   17   20      0.026
  26   22   19   16      0.026
  26   23   18   16      0.026
  27   24   20   17      0.026
  27   25   21   17      0.026
  23   26   22   19      0.026
  24   27   25   21      0.026
  25   27   24   20      0.026
  22   26   23   18      0.026


CHIRAL ATOMS
  22   26   23   18      0.026